COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681258
Chemical Name: 3-({2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-2-butanoyl-5,5-dimethylcyclohex-2-en-1-one
Smiles: CCCC(=O)C1=C(NCCc2c(C)[nH]c3c2cc(OCc2ccccc2)cc3)CC(CC1=O)(C)C

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Molecular Weight: 472.63
Empirical Formula: C30H36N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.987
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 71
Number of rings: 4

     

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